Bbr 1509
Basic information
- CAS
103602-79-5- Standard SMILES
CC(=O)Nc1ccc2c(c1)CCCC1CC(=O)NN=C21- InChIKey
KTXZJVBDYSLVRN-UHFFFAOYSA-N- Molecular formula
- C15H17N3O2
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.13207679
Names & identifiers
- Preferred name
- Bbr 1509
- IUPAC
- N-(5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,12,14-tetraen-13-yl)acetamide
Names & synonyms
BRN 6523594BBR-1509BBR 1509103602-79-5Acetamide, N-(3,4,4a,5,6,7-hexahydro-3-oxo-2H-benzo(6,7)cyclohepta(1,2-c)pyridazin-9-yl)-, (+-)-dl-9-Acetylamino-2,4,4a,5,6,7-hexahydro-3H-benzo(6,7)cyclohepten(1,2-c)pyridazin-3-oneRefChem:320986CHEMBL40881DTXSID40908495N-(3-Hydroxy-4a,5,6,7-tetrahydro-4H-benzo[6,7]cyclohepta[1,2-c]pyridazin-9-yl)ethanimidic acid
Database identifiers
- CAS
103602-79-5- PubChem CID
- 219043
- DTXSID
DTXSID40908495- ChEMBL
CHEMBL40881
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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